Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.3287    0.3522    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822    0.7152    0.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1003   -0.0715   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1634   -1.1318   -0.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785    0.2934    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343   -0.5076   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9289    0.3422    1.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3238   -0.6248   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144    1.1051   -0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288    1.1986    0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410   -1.4193   -0.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586   -0.2516    0.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers